6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

About 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum

6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (PubChem CID 91865240) has the molecular formula C21H14F5N2O2Pt- and a molecular weight of 616.42 g/mol. Its IUPAC name is 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

Molecular Properties

Compound Name	6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
PubChem CID	91865240
Molecular Formula	C21H14F5N2O2Pt-
Molecular Weight	616.42 g/mol
Exact Mass	616.06
IUPAC Name	6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
SMILES	CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1.[Pt]
InChI	InChI=1S/C21H14F5N2O2.Pt/c1-20(2,16-8-4-6-14(28-16)19(29)30)15-7-3-5-13(27-15)11-9-10-12(22)17(18(11)23)21(24,25)26;/h3-8,10H,1-2H3,(H,29,30);/q-1;
InChIKey	KENKJBAIXAKIDH-UHFFFAOYSA-N
XLogP	5.26
TPSA	63.08 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.42
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The IUPAC name of 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (CID 91865240) is 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

What is the SMILES notation for 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The canonical SMILES for 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1.[Pt].

What is the InChIKey of 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The InChIKey is KENKJBAIXAKIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N2O2.Pt/c1-20(2,16-8-4-6-14(28-16)19(29)30)15-7-3-5-13(27-15)11-9-10-12(22)17(18(11)23)21(24,25)26;/h3-8,10H,1-2H3,(H,29,30);/q-1;.

What are the key properties of 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum has a molecular weight of 616.42 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is sourced from PubChem (CID 91865240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).